SCHEMBL26014841

SCHEMBL26014841

CCCc1ccc2c(c1)n(C)c(=O)n2C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ THRB P10828 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ BRD4 O60885 2/20 0.46
▸ BRPF1 P55201 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTR1A P08908 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ HTR2A P28223 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12136691 0.85 RAB9A (0.57) POLBTHRBTP53RAB9ASMN1; SMN2
SCHEMBL22862558 0.81 POLB (0.54) POLBTHRBTP53RAB9ASMN1; SMN2
SCHEMBL29490252 0.81 POLB (0.54) POLBTHRBTP53RAB9ASMN1; SMN2
SCHEMBL13633144 0.80 POLB (0.50) POLBTHRBTP53RAB9ASMN1; SMN2
SCHEMBL29490174 0.79 POLB (0.53) POLBTHRBTP53RAB9ASMN1; SMN2
SCHEMBL22862551 0.79 POLB (0.53) POLBTHRBTP53RAB9ASMN1; SMN2
SCHEMBL7479892 0.79 POLB (0.53) POLBTHRBTP53RAB9ASMN1; SMN2
SCHEMBL9388512 0.79 POLB (0.53) POLBTHRBTP53RAB9ASMN1; SMN2
SCHEMBL13156353 0.79 POLB (0.53) POLBTHRBTP53RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL31737865 0.78 POLB (0.51) POLBTHRBTP53RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154310-A1 2-METHYL-4-PHENYLPIPERIDIN-4-OL DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 — — WO disclosed
Send feedback